1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide

C19H18ClN3O — CID 56827699

IUPAC1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-21-19(24)17-13-23(12-14-6-4-3-5-7-14)22-18(17)15-8-10-16(20)11-9-15/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyDZKMWGBPMWEKGF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.00
Rot. Bonds5

About 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide (PubChem CID 56827699) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
PubChem CID56827699
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-21-19(24)17-13-23(12-14-6-4-3-5-7-14)22-18(17)15-8-10-16(20)11-9-15/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyDZKMWGBPMWEKGF-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-3-(4-chlorophenyl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 154851175
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 24542676
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide (CID 56827699) is 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide is CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide?
The InChIKey is DZKMWGBPMWEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-21-19(24)17-13-23(12-14-6-4-3-5-7-14)22-18(17)15-8-10-16(20)11-9-15/h3-11,13H,2,12H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 56827699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).